Information card for entry 7007934

Structure parameters

• Formula: C51 H49 Cu3 N9 O19.5 P4 V2
• Calculated formula: C51 H44 Cu3 N9 O19.5 P4 V2
• Title of publication: Solid state coordination chemistry of metal oxides: structural consequences of fluoride incorporation into the oxovanadium-copper-bisterpy-{O3P(CH2)nPO3}4- system, n= 1-5 (bisterpy = 2,2':4',4":2",2"'-quaterpyridyl-6', 6"-di-2-pyridine).
• Authors of publication: Ouellette, Wayne; Golub, Vladimir; O'Connor, Charles J; Zubieta, Jon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 2
• Pages of publication: 291 - 309
• a: 13.3517 ± 0.0008 Å
• b: 14.1008 ± 0.0009 Å
• c: 15.2997 ± 0.001 Å
• α: 77.785 ± 0.001°
• β: 77.11 ± 0.001°
• γ: 81.178 ± 0.001°
• Cell volume: 2727.2 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No